| SpectraBase Compound ID | FOZoO8Yn900 |
|---|---|
| InChI | InChI=1S/C34H36N2O8/c1-31(2)24-18-26(42-30(39)23-13-9-17-36-20-23)33(4)25(41-29(38)22-12-8-16-35-19-22)14-15-32(3,40)34(33,44-31)27(24)43-28(37)21-10-6-5-7-11-21/h5-13,16-17,19-20,24-27,40H,14-15,18H2,1-4H3/t24-,25+,26+,27-,32+,33+,34+/m0/s1 |
| InChIKey | HQQYEJRHKSTVGF-DVPKLNIGSA-N |
| Mol Weight | 600.7 g/mol |
| Molecular Formula | C34H36N2O8 |
| Exact Mass | 600.247166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | bvekygntPM |
|---|---|
| Name | 5-ALPHA-BENZOYL-4-ALPHA-HYDROXY-1-BETA,8-ALPHA-DINICOTINOYL-DIHYDROAGAROFURAN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H36N2O8 |
| InChI | InChI=1S/C34H36N2O8/c1-31(2)24-18-26(42-30(39)23-13-9-17-36-20-23)33(4)25(41-29(38)22-12-8-16-35-19-22)14-15-32(3,40)34(33,44-31)27(24)43-28(37)21-10-6-5-7-11-21/h5-13,16-17,19-20,24-27,40H,14-15,18H2,1-4H3/t24-,25+,26+,27-,32+,33+,34+/m0/s1 |
| InChIKey | HQQYEJRHKSTVGF-DVPKLNIGSA-N |
| Literature Reference Author | H.Q.DUAN,Y.TAKAISHI,Y.F.JIA,D.LI |
| Literature Reference Citation | PHYTOCHEM.,56,341(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00369-1 |
| Molecular Weight | 600.668 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN1730 |